Geometry & MOs

Info

ID:	367928
PubChem CID:	127326102
Reduced:	N3O3C22H39 (1)
Stoich.:	A3B3C22D39 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-169.26
Dipole, Da:	5.62
IP(EA), eV:	-8.37(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-1-[(2-methyl-4-phenylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2CCN(CC2)C(=O)CN(C)C3CCC(CC3)OC

DOS

IR

Vibrations